Information card for entry 7708003

Structure parameters

• Formula: C28 H38 Cu N2 O2
• Calculated formula: C28 H38 Cu N2 O2
• SMILES: [Cu]123[N](=Cc4c(O1)c(cc(c4)C(C)(C)C)C(C)(C)C)[C@H]1CCCC[C@@H]1[NH]3Cc1ccccc1O2.[Cu]123[N](=Cc4c(O1)c(cc(c4)C(C)(C)C)C(C)(C)C)[C@@H]1CCCC[C@H]1[NH]3Cc1ccccc1O2
• Title of publication: Breaking the symmetry: <i>C</i>₁-salans with (N-H) backbones.
• Authors of publication: Devonport, Jack; Spencer, John; Kostakis, George E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 35
• Pages of publication: 12069 - 12073
• a: 15.1367 ± 0.0003 Å
• b: 12.127 ± 0.0003 Å
• c: 28.2251 ± 0.0008 Å
• α: 90°
• β: 95.326 ± 0.002°
• γ: 90°
• Cell volume: 5158.7 ± 0.2 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1787
• Weighted residual factors for all reflections included in the refinement: 0.2071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No